SCHEMBL1282353

SCHEMBL1282353

CC(C)(C)C(O)(CCCCCOc1ccccc1F)Cn1ncnc1S

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
RAB9A P51151 2/20 0.34
TTR P02766 1/20 0.34
DRD2 P14416 1/20 0.34
POLB P06746 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1282133 0.99 MAPK1 (0.42) MAPK1L3MBTL1TDP1KDM4EKMT2A
SCHEMBL1282359 0.96 MAPK1 (0.40) MAPK1L3MBTL1TDP1KDM4EKMT2A
SCHEMBL1281978 0.90 HSP90AB1 (0.32) MAPK1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL1281730 0.88 HSP90AB1 (0.32) MAPK1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL1282724 0.88
SCHEMBL1283213 0.87 L3MBTL1 (0.38) MAPK1L3MBTL1TDP1KMT2AMEN1
SCHEMBL1283456 0.86 L3MBTL1 (0.39) MAPK1L3MBTL1TDP1KMT2AMEN1
SCHEMBL1282307 0.86 S1PR4 (0.35) KDM4EKMT2AMEN1CYP1A2CYP2C19
SCHEMBL1282161 0.85 HSP90AB1 (0.33) MAPK1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL1282110 0.85 HTT (0.36) KDM4EKMT2AMEN1ALDH1A1DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443098-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2012-04-25 EP disclosed
US-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives BASF SE (DE) 2012-04-12 US disclosed
WO-2010146112-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2010-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives ERG28, CYP51A1, DPM1 MAPK1 3145/4885L3MBTL1 3006/4885TDP1 3127/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.